CID 85524

(triphenylphosphoranylidene)acetonitrile

Structural Information

Molecular Formula
C20H16NP
SMILES
C1=CC=C(C=C1)P(=CC#N)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H16NP/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17H
InChIKey
APISVOVOJVZIBA-UHFFFAOYSA-N
Compound name
2-(triphenyl-lambda5-phosphanylidene)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

997
Patents

301.10205 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10933 178.1
[M+Na]+ 324.09127 186.6
[M-H]- 300.09477 183.6
[M+NH4]+ 319.13587 190.8
[M+K]+ 340.06521 177.2
[M+H-H2O]+ 284.09931 160.9
[M+HCOO]- 346.10025 200.7
[M+CH3COO]- 360.11590 213.0
[M+Na-2H]- 322.07672 180.3
[M]+ 301.10150 170.7
[M]- 301.10260 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe